Construction of an accurate potential energy surface by interpolation with Cartesian weighting coordinates

Journal of Chemical Physics

Volumn 113, Issue 15, 2000, Pages 6021-6024

  Rhee, Young Min ^a,b  

^a Korean Air Force Academy   (South Korea)

^b STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ATOMIC PHYSICS; CHEMICAL BONDS; CHEMICAL REACTIONS; COMPUTER SIMULATION; CONVERGENCE OF NUMERICAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; INTERPOLATION; ISOTOPES; MOLECULAR VIBRATIONS; OPTIMIZATION;

INTERATOMIC DISTANCE; POTENTIAL ENERGY SURFACE; VIBRATIONAL STATE ANALYSIS;

SURFACE CHEMISTRY;

EID: 0034294303     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1315348     Document Type: Article

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